4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(2-phenylpropylamino)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(2-phenylpropylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-methyl-1-(2-phenylpropylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-methyl-1-(2-phenylpropylcarbamoyl)propyl]-3-nitro-benzamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C)C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NCC(C)C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-13(2)19(21(27)23-12-14(3)15-7-5-4-6-8-15)24-20(26)16-9-10-17(22)18(11-16)25(28)29/h4-11,13-14,19H,12H2,1-3H3,(H,23,27)(H,24,26)